کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7959813 1513912 2015 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
New diluted magnetic semiconductor (BaK)(ZnMn)2As2: Electronic structure and magnetic properties
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
New diluted magnetic semiconductor (BaK)(ZnMn)2As2: Electronic structure and magnetic properties
چکیده انگلیسی
The electronic structures and magnetic properties of a new diluted magnetic semiconductor (BaK)(ZnMn)2As2 have been investigated using first-principles calculations. In this system, charges are doped via off-stoichiometry of (Ba2+,K+) substitutions, while spins by the isovalent (Zn2+,Mn2+) substitutions. The dependence of magnetic properties on Mn and K concentrations were studied and the optimized configuration was consistent with the experimental results. Our work demonstrated the key roles of the Mn doping and K doping in the developing of ferromagnetism and p-d coupling interaction was proposed as the origin of ferromagnetic coupling in this diluted magnetic semiconductor.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 98, 15 February 2015, Pages 93-98
نویسندگان
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